N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine

C16H28N2OS — CID 79663833

IUPACN-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H28N2OS/c1-5-6-17-16(14-9-13(4)20-11-14)15-10-18(12(2)3)7-8-19-15/h9,11-12,15-17H,5-8,10H2,1-4H3
InChIKeyCHYFEIFHXFYCQB-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.21
Rot. Bonds6

About N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine

N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine (PubChem CID 79663833) has the molecular formula C16H28N2OS and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
PubChem CID79663833
Molecular FormulaC16H28N2OS
Molecular Weight296.48 g/mol
Exact Mass296.19
IUPAC NameN-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1csc(C)c1)C1CN(C(C)C)CCO1
InChIInChI=1S/C16H28N2OS/c1-5-6-17-16(14-9-13(4)20-11-14)15-10-18(12(2)3)7-8-19-15/h9,11-12,15-17H,5-8,10H2,1-4H3
InChIKeyCHYFEIFHXFYCQB-UHFFFAOYSA-N
XLogP3.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine (CID 79663833) is N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine is CCCNC(c1csc(C)c1)C1CN(C(C)C)CCO1.
What is the InChIKey of N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine?
The InChIKey is CHYFEIFHXFYCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2OS/c1-5-6-17-16(14-9-13(4)20-11-14)15-10-18(12(2)3)7-8-19-15/h9,11-12,15-17H,5-8,10H2,1-4H3.
What are the key properties of N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine?
N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-3-yl)-(4-propan-2-ylmorpholin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 79663833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).